(1S)-2-(2-fluoranyl-4-nitro-phenyl)-1-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethanol

Systemtic Name: (1S)-2-(2-fluoranyl-4-nitro-phenyl)-1-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethanol Openeye Name: (1S)-2-(2-fluoro-4-nitro-phenyl)-1-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethanol CAS Name: (1S)-2-(2-fluoro-4-nitrophenyl)-1-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethanol IUPAC Name: (1S)-2-(2-fluoro-4-nitrophenyl)-1-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]ethanol Traditional Name: (1S)-1-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-(2-fluoro-4-nitro-phenyl)ethanol Formula: C27H34FNO3 MolecularWeight: 439.562163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C(CC4=C(C=C(C=C4)[N+](=O)[O-])F)O

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)[C@H](CC4=C(C=C(C=C4)[N+](=O)[O-])F)O

InChI

InChI=1S/C27H34FNO3/c1-2-3-4-11-26-12-15-27(16-13-26,17-14-26)22-8-5-20(6-9-22)25(30)18-21-7-10-23(29(31)32)19-24(21)28/h5-10,19,25,30H,2-4,11-18H2,1H3/t25-,26?,27?/m0/s1